ChemSpider 2D Image | (5R)-3-Acetyl-5-[(2S)-2-butanyl]-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one | C10H15NO3

(5R)-3-Acetyl-5-[(2S)-2-butanyl]-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC10H15NO3
  • Average mass197.231 Da
  • Monoisotopic mass197.105194 Da
  • ChemSpider ID28504510

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(5R)-3-Acetyl-5-[(2S)-2-butanyl]-4-hydroxy-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
(5R)-3-Acetyl-5-[(2S)-2-butanyl]-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
(5R)-3-Acétyl-5-[(2S)-2-butanyl]-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC Name]
2H-Pyrrol-2-one, 3-acetyl-1,5-dihydro-4-hydroxy-5-[(1S)-1-methylpropyl]-, (5R)- [ACD/Index Name]
36576-19-9 [RN]
610-88-8 [RN]
Tenuazonic acid [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 401.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.4±6.0 kJ/mol
Flash Point: 196.4±28.7 °C
Index of Refraction: 1.519
Molar Refractivity: 50.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.28
ACD/LogD (pH 7.4): -2.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 167.4±3.0 cm3

Click to predict properties on the Chemicalize site


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